1-[tert-butyl(dimethyl)silyl]butan-1-one

C10H22OSi — CID 15685379

IUPAC1-[tert-butyl(dimethyl)silyl]butan-1-one
SMILESCCCC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22OSi/c1-7-8-9(11)12(5,6)10(2,3)4/h7-8H2,1-6H3
InChIKeyBIJKBLVZLKYLKV-UHFFFAOYSA-N
MW186.37 g/mol
LogP3.40
Rot. Bonds3

About 1-[tert-butyl(dimethyl)silyl]butan-1-one

1-[tert-butyl(dimethyl)silyl]butan-1-one (PubChem CID 15685379) has the molecular formula C10H22OSi and a molecular weight of 186.37 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]butan-1-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]butan-1-one
PubChem CID15685379
Molecular FormulaC10H22OSi
Molecular Weight186.37 g/mol
Exact Mass186.14
IUPAC Name1-[tert-butyl(dimethyl)silyl]butan-1-one
SMILESCCCC(=O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22OSi/c1-7-8-9(11)12(5,6)10(2,3)4/h7-8H2,1-6H3
InChIKeyBIJKBLVZLKYLKV-UHFFFAOYSA-N
XLogP3.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]butan-1-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]butan-1-one (CID 15685379) is 1-[tert-butyl(dimethyl)silyl]butan-1-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]butan-1-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]butan-1-one is CCCC(=O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]butan-1-one?
The InChIKey is BIJKBLVZLKYLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OSi/c1-7-8-9(11)12(5,6)10(2,3)4/h7-8H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]butan-1-one?
1-[tert-butyl(dimethyl)silyl]butan-1-one has a molecular weight of 186.37 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]butan-1-one is sourced from PubChem (CID 15685379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).